Salient Physical Properties

All known vinylidene and propadienylidene complexes are listed in Tables IV-VII, together with some salient physical properties. In their IR spectra, v(CC) generally occurs between 1590 and 1660 cm-1 in their Raman spectra, strong v(CC) bands are found at 1590 and 1594 cm-1 for... 

Hydrogen gas exhibits several salient physical properties ... 

The basic idea of the pseudopotential theory is to replace the strong electron-ion potential by a much weaker potential - a pseudopotential that can describe the salient features of the valence electrons which determine most physical properties of molecules to a much greater extent than the core electrons do. Within the pseudopotential approximation, the core electrons are totally ignored and only the behaviour of the valence electrons outside the core region is considered as important and is described as accurately as possible [54]. Thus the core electrons and the strong ionic potential are replaced by a much weaker pseudopotential which acts on the associated valence pseudo wave functions rather than the real valence wave functions (p ). As... 

Molecular Connectivity Indexes and Graph Theory. Perhaps the chief obstacle to developing a general theory for quantification of physical properties is not so much in the understanding of the underlying physical laws, but rather the inability to solve the requisite equations. The plethora of assumptions and simplifications in the statistical mechanics and group contribution sections of this article provide examples of this. Computational procedures are simplified when the number of parameters used to describe the salient features of a problem is reduced. Because many properties of molecules correlate well with structures, parameters have been developed which grossly quantify molecular structural characteristics. These parameters, or connectivity indexes, are usually based on the numbers and orientations of atoms and bonds in the molecule. 

The crystal structures and simple electronic band structures of all these classes of compounds have been determined previously [3]. The salient feature of the crystal structure is an array of alternating layers of organic molecules and anions. The arrangements of the BEDT-TTF molecules in the layers determine the band structures, and thus the physical properties. 

This book is split into six well-defined chapters Salient Features of Explosives, Status of Explosives, Processing and Assessment of Explosives, Propellants, Pyrotechnics, and Explosive and Chemical Safety. Further, the book includes an exhaustive bibliography at the end of each chapter (total references cited are more than 1000). It also provides the status of HEMs reported mainly during the last 50 years, including their prospects for military applications in the light of their physical, chemical, thermal and explosive properties. The likely development areas for further research are also highlighted. Accidents, fires and explosions in the explosive and chemical industries may be eliminated or minimized if the safety measures described in this book are implemented. 

At the risk of being redundant, we may state here the salient features of the TD-functional formalism. The first requirement is a variational principle, and for a time-dependent quantum description only a stationary action principle is available. With this a mapping theorem is established which turns the action functional into a functional of relevant physical quantities (which are the expectation values), and the condition of stationarity is now in terms of these variables instead of the entire density matrix. Thus the stationary property with respect to the density matrix now becomes one with respect to all the variables... 

Because there is a central theme that pervades the formalisms and applications of this work, its framework has been given the generic name of The state-specific approach (SSA) (Nicolaides, int. J. Quantum Chem. 60, (1996) 119 ibid, 71, (1999) 209). According to the SSA, critical to the development of formalism which is physically helpful as well as computationally practical is, first, the choice of appropriate for each problem forms of the trial wavefunctions and, second, the possibility of employing corresponding function spaces that are as specific and optimal as possible for the state and property of interest. A salient feature of the SSA is that it makes the interplay between electronic structure and dynamics transparent. 

In recent years, investigators working in the field of physics and chemistry of high-molecular compounds have been paying a lot of attention to the problem of C3 eating liquid crystalline systems (V14). The great interest displayed in the study of properties of such systems can most probably be accounted for by two main factors firstly, by the advances in studies into the structure, properties and practical use of low-molecular liquid crystals in physics, technology and medicine, and, secondly, by the studies of the nature and salient features of the liquid crystalline state in polymers as a specific state of macromolecu-lar substeuices. 

By about 1972 also, we had unearthed most of the salient features of the diatomic dissociation problem [73.A 73.K], and I now had some appreciation of the properties of the master-equation approach to the chemical reaction problem. Consequently, I spent a sabbatical term at the Physical Chemistry Laboratory in Oxford in the autumn of 1972 planning the beginnings of the state-to-state treatment of unimolecular reactions described in the following pages. The unimolecular dissociation... 

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